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PubMed code 18586490

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251661
PNG
(2-(2-(pyrrolidin-1-yl)propan-2-yl)-1H-benzo[d]imid...)
Show SMILES CC(C)(N1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C15H20N4O/c1-15(2,19-8-3-4-9-19)14-17-11-7-5-6-10(13(16)20)12(11)18-14/h5-7H,3-4,8-9H2,1-2H3,(H2,16,20)(H,17,18)
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251657
PNG
(2-(2-(methylamino)propan-2-yl)-1H-benzo[d]imidazol...)
Show SMILES CNC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C12H16N4O/c1-12(2,14-3)11-15-8-6-4-5-7(10(13)17)9(8)16-11/h4-6,14H,1-3H3,(H2,13,17)(H,15,16)
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251621
PNG
(2-(2-(cyclopropylmethylamino)propan-2-yl)-1H-benzo...)
Show SMILES CC(C)(NCC1CC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C15H20N4O/c1-15(2,17-8-9-6-7-9)14-18-11-5-3-4-10(13(16)20)12(11)19-14/h3-5,9,17H,6-8H2,1-2H3,(H2,16,20)(H,18,19)
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7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251620
PNG
(2-(2-(isopropylamino)propan-2-yl)-1H-benzo[d]imida...)
Show SMILES CC(C)NC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H20N4O/c1-8(2)18-14(3,4)13-16-10-7-5-6-9(12(15)19)11(10)17-13/h5-8,18H,1-4H3,(H2,15,19)(H,16,17)
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7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251658
PNG
(2-(2-(dimethylamino)propan-2-yl)-1H-benzo[d]imidaz...)
Show SMILES CN(C)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C13H18N4O/c1-13(2,17(3)4)12-15-9-7-5-6-8(11(14)18)10(9)16-12/h5-7H,1-4H3,(H2,14,18)(H,15,16)
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9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251622
PNG
(2-(2-(cyclopentylamino)propan-2-yl)-1H-benzo[d]imi...)
Show SMILES CC(C)(NC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-16(2,20-10-6-3-4-7-10)15-18-12-9-5-8-11(14(17)21)13(12)19-15/h5,8-10,20H,3-4,6-7H2,1-2H3,(H2,17,21)(H,18,19)
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9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251619
PNG
(2-(2-(propylamino)propan-2-yl)-1H-benzo[d]imidazol...)
Show SMILES CCCNC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H20N4O/c1-4-8-16-14(2,3)13-17-10-7-5-6-9(12(15)19)11(10)18-13/h5-7,16H,4,8H2,1-3H3,(H2,15,19)(H,17,18)
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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251546
PNG
(2-(1-(isopropylamino)ethyl)-1H-benzo[d]imidazole-4...)
Show SMILES CC(C)NC(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C13H18N4O/c1-7(2)15-8(3)13-16-10-6-4-5-9(12(14)18)11(10)17-13/h4-8,15H,1-3H3,(H2,14,18)(H,16,17)
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251695
PNG
(2-(2-(piperidin-1-yl)propan-2-yl)-1H-benzo[d]imida...)
Show SMILES CC(C)(N1CCCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-16(2,20-9-4-3-5-10-20)15-18-12-8-6-7-11(14(17)21)13(12)19-15/h6-8H,3-5,9-10H2,1-2H3,(H2,17,21)(H,18,19)
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251660
PNG
(2-(2-(methyl((tetrahydrofuran-3-yl)methyl)amino)pr...)
Show SMILES CN(CC1CCOC1)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C17H24N4O2/c1-17(2,21(3)9-11-7-8-23-10-11)16-19-13-6-4-5-12(15(18)22)14(13)20-16/h4-6,11H,7-10H2,1-3H3,(H2,18,22)(H,19,20)
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251617
PNG
(2-(2-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-b...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)C1(N)CCc2ccccc2C1
Show InChI InChI=1S/C18H18N4O/c19-16(23)13-6-3-7-14-15(13)22-17(21-14)18(20)9-8-11-4-1-2-5-12(11)10-18/h1-7H,8-10,20H2,(H2,19,23)(H,21,22)
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251582
PNG
(2-(2-aminopropan-2-yl)-1H-benzo[d]imidazole-4-carb...)
Show SMILES CC(C)(N)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C11H14N4O/c1-11(2,13)10-14-7-5-3-4-6(9(12)16)8(7)15-10/h3-5H,13H2,1-2H3,(H2,12,16)(H,14,15)
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251659
PNG
(2-(2-(cyclobutyl(methyl)amino)propan-2-yl)-1H-benz...)
Show SMILES CN(C1CCC1)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-16(2,20(3)10-6-4-7-10)15-18-12-9-5-8-11(14(17)21)13(12)19-15/h5,8-10H,4,6-7H2,1-3H3,(H2,17,21)(H,18,19)
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251547
PNG
(2-(1-(cyclopropylmethylamino)ethyl)-1H-benzo[d]imi...)
Show SMILES CC(NCC1CC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-8(16-7-9-5-6-9)14-17-11-4-2-3-10(13(15)19)12(11)18-14/h2-4,8-9,16H,5-7H2,1H3,(H2,15,19)(H,17,18)
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24n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251584
PNG
(2-(1-aminocyclobutyl)-1H-benzo[d]imidazole-4-carbo...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)C1(N)CCC1
Show InChI InChI=1S/C12H14N4O/c13-10(17)7-3-1-4-8-9(7)16-11(15-8)12(14)5-2-6-12/h1,3-4H,2,5-6,14H2,(H2,13,17)(H,15,16)
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25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251583
PNG
(2-(1-aminocyclopropyl)-1H-benzo[d]imidazole-4-carb...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)C1(N)CC1
Show InChI InChI=1S/C11H12N4O/c12-9(16)6-2-1-3-7-8(6)15-10(14-7)11(13)4-5-11/h1-3H,4-5,13H2,(H2,12,16)(H,14,15)
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25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251579
PNG
(2-(4-aminobutan-2-yl)-1H-benzo[d]imidazole-4-carbo...)
Show SMILES CC(CCN)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C12H16N4O/c1-7(5-6-13)12-15-9-4-2-3-8(11(14)17)10(9)16-12/h2-4,7H,5-6,13H2,1H3,(H2,14,17)(H,15,16)
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32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251548
PNG
(2-(1-(cyclopentylamino)ethyl)-1H-benzo[d]imidazole...)
Show SMILES CC(NC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C15H20N4O/c1-9(17-10-5-2-3-6-10)15-18-12-8-4-7-11(14(16)20)13(12)19-15/h4,7-10,17H,2-3,5-6H2,1H3,(H2,16,20)(H,18,19)
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33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251551
PNG
(2-(1-(phenethylamino)ethyl)-1H-benzo[d]imidazole-4...)
Show SMILES CC(NCCc1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C18H20N4O/c1-12(20-11-10-13-6-3-2-4-7-13)18-21-15-9-5-8-14(17(19)23)16(15)22-18/h2-9,12,20H,10-11H2,1H3,(H2,19,23)(H,21,22)
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35n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251655
PNG
(2-(2-(phenethylamino)propan-2-yl)-1H-benzo[d]imida...)
Show SMILES CC(C)(NCCc1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C19H22N4O/c1-19(2,21-12-11-13-7-4-3-5-8-13)18-22-15-10-6-9-14(17(20)24)16(15)23-18/h3-10,21H,11-12H2,1-2H3,(H2,20,24)(H,22,23)
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37n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251545
PNG
(2-(1-(propylamino)ethyl)-1H-benzo[d]imidazole-4-ca...)
Show SMILES CCCNC(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C13H18N4O/c1-3-7-15-8(2)13-16-10-6-4-5-9(12(14)18)11(10)17-13/h4-6,8,15H,3,7H2,1-2H3,(H2,14,18)(H,16,17)
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41n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251580
PNG
(2-(4-(cyclopentylamino)butan-2-yl)-1H-benzo[d]imid...)
Show SMILES CC(CCNC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C17H24N4O/c1-11(9-10-19-12-5-2-3-6-12)17-20-14-8-4-7-13(16(18)22)15(14)21-17/h4,7-8,11-12,19H,2-3,5-6,9-10H2,1H3,(H2,18,22)(H,20,21)
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45n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251585
PNG
(2-(1-aminocyclohexyl)-1H-benzo[d]imidazole-4-carbo...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)C1(N)CCCCC1
Show InChI InChI=1S/C14H18N4O/c15-12(19)9-5-4-6-10-11(9)18-13(17-10)14(16)7-2-1-3-8-14/h4-6H,1-3,7-8,16H2,(H2,15,19)(H,17,18)
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50n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251519
PNG
(2-(1-aminoethyl)-1H-benzo[d]imidazole-4-carboxamid...)
Show SMILES CC(N)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C10H12N4O/c1-5(11)10-13-7-4-2-3-6(9(12)15)8(7)14-10/h2-5H,11H2,1H3,(H2,12,15)(H,13,14)
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50n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251549
PNG
(2-(1-(cyclohexylamino)ethyl)-1H-benzo[d]imidazole-...)
Show SMILES CC(NC1CCCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-10(18-11-6-3-2-4-7-11)16-19-13-9-5-8-12(15(17)21)14(13)20-16/h5,8-11,18H,2-4,6-7H2,1H3,(H2,17,21)(H,19,20)
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53n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251618
PNG
(2-(2-amino-2,3-dihydro-1H-inden-2-yl)-1H-benzo[d]i...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)C1(N)Cc2ccccc2C1
Show InChI InChI=1S/C17H16N4O/c18-15(22)12-6-3-7-13-14(12)21-16(20-13)17(19)8-10-4-1-2-5-11(10)9-17/h1-7H,8-9,19H2,(H2,18,22)(H,20,21)
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58n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251550
PNG
(2-(1-(diethylamino)ethyl)-1H-benzo[d]imidazole-4-c...)
Show SMILES CCN(CC)C(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H20N4O/c1-4-18(5-2)9(3)14-16-11-8-6-7-10(13(15)19)12(11)17-14/h6-9H,4-5H2,1-3H3,(H2,15,19)(H,16,17)
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61n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093363
PNG
(2-Methyl-1H-benzoimidazole-4-carboxylic acid amide...)
Show SMILES Cc1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C9H9N3O/c1-5-11-7-4-2-3-6(9(10)13)8(7)12-5/h2-4H,1H3,(H2,10,13)(H,11,12)
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99n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251581
PNG
(2-(1-{[(dimethylamino)sulfonyl]amino}ethyl)-1H-ben...)
Show SMILES CC(NS(=O)(=O)N(C)C)c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C12H17N5O3S/c1-7(16-21(19,20)17(2)3)12-14-9-6-4-5-8(11(13)18)10(9)15-12/h4-7,16H,1-3H3,(H2,13,18)(H,14,15)
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140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27088
PNG
(1H-1,3-benzodiazole-4-carboxamide | 1H-benzimidazo...)
Show SMILES NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C8H7N3O/c9-8(12)5-2-1-3-6-7(5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
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240n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251656
PNG
(1-(2-(4-carbamoyl-1H-benzo[d]imidazol-2-yl)propan-...)
Show SMILES CCNC(=O)NC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H19N5O2/c1-4-16-13(21)19-14(2,3)12-17-9-7-5-6-8(11(15)20)10(9)18-12/h5-7H,4H2,1-3H3,(H2,15,20)(H,17,18)(H2,16,19,21)
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870n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251622
PNG
(2-(2-(cyclopentylamino)propan-2-yl)-1H-benzo[d]imi...)
Show SMILES CC(C)(NC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-16(2,20-10-6-3-4-7-10)15-18-12-9-5-8-11(14(17)21)13(12)19-15/h5,8-10,20H,3-4,6-7H2,1-2H3,(H2,17,21)(H,18,19)
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n/an/an/an/a 4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in cell based assay


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251658
PNG
(2-(2-(dimethylamino)propan-2-yl)-1H-benzo[d]imidaz...)
Show SMILES CN(C)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C13H18N4O/c1-13(2,17(3)4)12-15-9-7-5-6-8(11(14)18)10(9)16-12/h5-7H,1-4H3,(H2,14,18)(H,15,16)
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n/an/an/an/a 1.80n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in cell based assay


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251620
PNG
(2-(2-(isopropylamino)propan-2-yl)-1H-benzo[d]imida...)
Show SMILES CC(C)NC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H20N4O/c1-8(2)18-14(3,4)13-16-10-7-5-6-9(12(15)19)11(10)17-13/h5-8,18H,1-4H3,(H2,15,19)(H,16,17)
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n/an/an/an/a 2n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in cell based assay


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251621
PNG
(2-(2-(cyclopropylmethylamino)propan-2-yl)-1H-benzo...)
Show SMILES CC(C)(NCC1CC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C15H20N4O/c1-15(2,17-8-9-6-7-9)14-18-11-5-3-4-10(13(16)20)12(11)19-14/h3-5,9,17H,6-8H2,1-2H3,(H2,16,20)(H,18,19)
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n/an/an/an/a 2n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in cell based assay


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251695
PNG
(2-(2-(piperidin-1-yl)propan-2-yl)-1H-benzo[d]imida...)
Show SMILES CC(C)(N1CCCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-16(2,20-9-4-3-5-10-20)15-18-12-8-6-7-11(14(17)21)13(12)19-15/h6-8H,3-5,9-10H2,1-2H3,(H2,17,21)(H,18,19)
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n/an/an/an/a 3.10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in cell based assay


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251619
PNG
(2-(2-(propylamino)propan-2-yl)-1H-benzo[d]imidazol...)
Show SMILES CCCNC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H20N4O/c1-4-8-16-14(2,3)13-17-10-7-5-6-9(12(15)19)11(10)18-13/h5-7,16H,4,8H2,1-3H3,(H2,15,19)(H,17,18)
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n/an/an/an/a 3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in cell based assay


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251655
PNG
(2-(2-(phenethylamino)propan-2-yl)-1H-benzo[d]imida...)
Show SMILES CC(C)(NCCc1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C19H22N4O/c1-19(2,21-12-11-13-7-4-3-5-8-13)18-22-15-10-6-9-14(17(20)24)16(15)23-18/h3-10,21H,11-12H2,1-2H3,(H2,20,24)(H,22,23)
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n/an/an/an/a 9n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in cell based assay


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251657
PNG
(2-(2-(methylamino)propan-2-yl)-1H-benzo[d]imidazol...)
Show SMILES CNC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C12H16N4O/c1-12(2,14-3)11-15-8-6-4-5-7(10(13)17)9(8)16-11/h4-6,14H,1-3H3,(H2,13,17)(H,15,16)
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n/an/an/an/a 1.30n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in cell based assay


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251661
PNG
(2-(2-(pyrrolidin-1-yl)propan-2-yl)-1H-benzo[d]imid...)
Show SMILES CC(C)(N1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C15H20N4O/c1-15(2,19-8-3-4-9-19)14-17-11-7-5-6-10(13(16)20)12(11)18-14/h5-7H,3-4,8-9H2,1-2H3,(H2,16,20)(H,17,18)
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n/an/an/an/a 0.900n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) in cell based assay


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%